Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL337025
Molecular formulaC32H36N8O
IUPAC name1-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-3-cyclohexylurea
Molecular weight548.695
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP6.4
Synonyms1-{2-Butyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazol-5-yl}-3-cyclohexyl-urea
BIBR-179
SCHEMBL8396768
BDBM50043252
Inchi KeyBRTGYYMVGGPMTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H36N8O/c1-2-3-13-30-35-28-19-18-25(34-32(41)33-24-9-5-4-6-10-24)20-29(28)40(30)21-22-14-16-23(17-15-22)26-11-7-8-12-27(26)31-36-38-39-37-31/h7-8,11-12,14-20,24H,2-6,9-10,13,21H2,1H3,(H2,33,34,41)(H,36,37,38,39)
PubChem CID10076199
ChEMBLCHEMBL337025
IUPHARN/A
BindingDB50043252
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31328Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359

yangzhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218